CID 53644335

109791-18-6

Structural Information

Molecular Formula

C₁₅H₂₅NO₄

SMILES

CC(C)NCC(COC1=CC=C(C=C1)COCCO)O

InChI

InChI=1S/C15H25NO4/c1-12(2)16-9-14(18)11-20-15-5-3-13(4-6-15)10-19-8-7-17/h3-6,12,14,16-18H,7-11H2,1-2H3

InChIKey

AIGGWEPYIOOYLI-UHFFFAOYSA-N

Compound name

1-[4-(2-hydroxyethoxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 283.17834 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	284.185616	168.8
[M+Na]+	306.167558	171.9
[M-H]-	282.171064	168.7
[M+NH4]+	301.212163	182.7
[M+K]+	322.141498	170.0
[M+H-H2O]+	266.175600	161.6
[M+HCOO]-	328.176541	188.2
[M+CH3COO]-	342.192191	200.3
[M+Na-2H]-	304.153006	169.9
[M]+	283.17779142	171.2
[M]-	283.17888858	171.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.